3-[[4-chloranyl-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[[4-chloranyl-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-chloro-6-[4-(2-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[[4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[[4-chloro-6-[4-(2-chlorophenyl)piperazino]pyrimidin-2-yl]thio]methyl]-N-isopropyl-benzamide Formula: C25H27Cl2N5OS MolecularWeight: 516.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CC(C)NC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H27Cl2N5OS/c1-17(2)28-24(33)19-7-5-6-18(14-19)16-34-25-29-22(27)15-23(30-25)32-12-10-31(11-13-32)21-9-4-3-8-20(21)26/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,33)